SCHEMBL11344150

SCHEMBL11344150

CCCCCCCCCCC[CH]CCC(C)CCC=C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.53
ALDH1A1 P00352 1/20 0.53
USP2 O75604 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
EP300 Q09472 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 1/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
GMNN O75496 2/20 0.33
LMNA P02545 2/20 0.33
GLA P06280 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2840564 0.87 ALOX15 (0.59) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL11041920 0.87 ALOX15 (0.59) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL3108390 0.85 ALOX15 (0.61) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL3108399 0.85 ALOX15 (0.61) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL3125002 0.85 ALOX15 (0.61) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL1200445 0.83 ALOX15 (0.63) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL1200446 0.83 ALOX15 (0.63) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL19873145 0.83 ACE2 (0.47) TSHRACE2ADH1BADH1CADH1A
SCHEMBL3407392 0.83 ADH1B (0.39) TSHRACE2MEN1KMT2ACYP3A4
SCHEMBL11213034 0.83 ACE2 (0.47) TSHRACE2ADH1BADH1CADH1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0029603-A1 Process for preparing predominantly Z-substituted allylic alcohols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-06-03 EP disclosed